5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C17H17N3O3 — CID 3118177

IUPAC5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21
InChIInChI=1S/C17H17N3O3/c1-4-20-10-11(12-7-5-6-8-14(12)20)9-13-15(21)18(2)17(23)19(3)16(13)22/h5-10H,4H2,1-3H3
InChIKeyGSRMLMZCNOEXDW-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.10
Rot. Bonds2

About 5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 3118177) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID3118177
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21
InChIInChI=1S/C17H17N3O3/c1-4-20-10-11(12-7-5-6-8-14(12)20)9-13-15(21)18(2)17(23)19(3)16(13)22/h5-10H,4H2,1-3H3
InChIKeyGSRMLMZCNOEXDW-UHFFFAOYSA-N
XLogP2.10
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 3118177) is 5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CCn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21.
What is the InChIKey of 5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is GSRMLMZCNOEXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-4-20-10-11(12-7-5-6-8-14(12)20)9-13-15(21)18(2)17(23)19(3)16(13)22/h5-10H,4H2,1-3H3.
What are the key properties of 5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 311.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3118177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).